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8SWS
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BU of 8sws by Molmil
Structure of K. lactis PNP S42E-H98R variant bound to transition state analog DADMe-IMMUCILLIN G and sulfate
Descriptor: 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, Purine nucleoside phosphorylase, SULFATE ION
Authors:Fedorov, E, Ghosh, A.
Deposit date:2023-05-19
Release date:2023-10-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Phosphate Binding in PNP Alters Transition-State Analogue Affinity and Subunit Cooperativity.
Biochemistry, 62, 2023
8SWR
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BU of 8swr by Molmil
Structure of K. lactis PNP S42E variant bound to transition state analog DADMe-IMMUCILLIN G and sulfate
Descriptor: 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, GUANINE, Purine nucleoside phosphorylase, ...
Authors:Fedorov, E, Ghosh, A.
Deposit date:2023-05-19
Release date:2023-10-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Phosphate Binding in PNP Alters Transition-State Analogue Affinity and Subunit Cooperativity.
Biochemistry, 62, 2023
8SWQ
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BU of 8swq by Molmil
Structure of K. lactis PNP bound to transition state analog DADMe-IMMUCILLIN H and sulfate
Descriptor: 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, GLYCEROL, Purine nucleoside phosphorylase, ...
Authors:Fedorov, E, Ghosh, A.
Deposit date:2023-05-19
Release date:2023-10-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.979 Å)
Cite:Phosphate Binding in PNP Alters Transition-State Analogue Affinity and Subunit Cooperativity.
Biochemistry, 62, 2023
8SWP
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BU of 8swp by Molmil
Structure of K. lactis PNP bound to hypoxanthine
Descriptor: ACETATE ION, HYPOXANTHINE, Purine nucleoside phosphorylase
Authors:Fedorov, E, Ghosh, A.
Deposit date:2023-05-19
Release date:2023-10-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phosphate Binding in PNP Alters Transition-State Analogue Affinity and Subunit Cooperativity.
Biochemistry, 62, 2023
8SWO
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BU of 8swo by Molmil
GpppA dinucleotide ligand binding to RNA UC template
Descriptor: GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, MAGNESIUM ION, RNA (5'-R(*(TLN)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G*(GA3))-3')
Authors:Zhang, W, Dantsu, Y.
Deposit date:2023-05-19
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand.
Rsc Chem Biol, 4, 2023
8SWN
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BU of 8swn by Molmil
Bovine multidrug resistance protein 4 (MRP4) E1202Q mutant bound to ATP in MSP lipid nanodisc
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP binding cassette subfamily C member 4, MAGNESIUM ION, ...
Authors:Pourmal, S, Stroud, R.M.
Deposit date:2023-05-19
Release date:2024-01-17
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of prostaglandin efflux by MRP4.
Nat.Struct.Mol.Biol., 31, 2024
8SWM
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BU of 8swm by Molmil
Crystal structure of Campylobacter jejuni ketol-acid reductoisomerase in complex with 2-acetolactate
Descriptor: (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid, CHLORIDE ION, Ketol-acid reductoisomerase (NADP(+)), ...
Authors:Lin, X, Lonhienne, T, Guddat, L.W.
Deposit date:2023-05-19
Release date:2024-04-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
8SWL
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BU of 8swl by Molmil
Substrate free structure of cytochrome P450 CYP105Q4 from mycobacterium marinum
Descriptor: Cytochrome P450 105Q4 Cyp105Q4, PROTOPORPHYRIN IX CONTAINING FE, TRIETHYLENE GLYCOL
Authors:Mohamed, H.A, Bruning, J.B, Bell, S.G.
Deposit date:2023-05-19
Release date:2024-03-27
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural determination and characterisation of the CYP105Q4 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 754, 2024
8SWK
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BU of 8swk by Molmil
Cryo-EM structure of NLRP3 closed hexamer
Descriptor: 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea, ADENOSINE-5'-TRIPHOSPHATE, NACHT, ...
Authors:Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S.
Deposit date:2023-05-18
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (4.32 Å)
Cite:Cryo-EM structures of NLRP3 reveal its self-activation mechanism
Nat Commun, 2024
8SWJ
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BU of 8swj by Molmil
Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531
Descriptor: (3S)-N-(4'-carbamoyl[1,1'-biphenyl]-3-yl)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-3-carboxamide, TP53-binding protein 1, UNKNOWN ATOM OR ION
Authors:Zeng, H, Dong, A, Shell, D.J, Foley, C, Pearce, K.H, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-05-18
Release date:2023-08-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531
To be published
8SWI
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BU of 8swi by Molmil
Crystal structure of legAS4 from Legionella pneumophila subsp. pneumophila with histone H3 (1-12)peptide
Descriptor: Eukaryotic huntingtin interacting protein B, Histone H3 peptided, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Xu, C, Chung, I.Y.W, Cygler, M.
Deposit date:2023-05-18
Release date:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:The SET and ankyrin domains of the secreted Legionella pneumophila histone methyltransferase work together to modify host chromatin.
Mbio, 14, 2023
8SWH
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BU of 8swh by Molmil
Local refinement of SARS-CoV-2 (HP-GSAS-Mut7) spike NTD in complex with TXG-0078 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TXG-0078 Fab Heavy chain, ...
Authors:Bangaru, B, Ward, A.
Deposit date:2023-05-18
Release date:2024-05-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Deep repertoire mining uncovers ultra-broad coronavirus neutralizing antibodies targeting multiple spike epitopes.
Cell Rep, 43, 2024
8SWG
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BU of 8swg by Molmil
RNA duplex bound with GpppA dinucleotide ligand
Descriptor: GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G*(GA3))-3')
Authors:Zhang, W, Dantsu, Y.
Deposit date:2023-05-18
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand.
Rsc Chem Biol, 4, 2023
8SWF
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BU of 8swf by Molmil
Cryo-EM structure of NLRP3 open octamer
Descriptor: NACHT, LRR and PYD domains-containing protein 3
Authors:Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S.
Deposit date:2023-05-18
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Cryo-EM structures of NLRP3 reveal its self-activation mechanism
Nat Commun, 2024
8SWE
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BU of 8swe by Molmil
FGFR2 Kinase Domain Bound to Reversible Inhibitor Cmpd 3
Descriptor: Fibroblast growth factor receptor 2, GLUTATHIONE, GLYCEROL, ...
Authors:Valverde, R, Foster, L.
Deposit date:2023-05-18
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Discovery of lirafugratinib (RLY-4008), a highly selective irreversible small-molecule inhibitor of FGFR2.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SWD
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BU of 8swd by Molmil
Crystal Structure of CiaD from Campylobacter jejuni (C-terminal fragment)
Descriptor: 2-oxoglutarate:acceptor oxidoreductase, CHLORIDE ION, MAGNESIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-05-18
Release date:2023-05-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of CiaD from Campylobacter jejuni (C-terminal fragment)
To be published
8SWC
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BU of 8swc by Molmil
RNase H complex with ASO (OOO) and RNA
Descriptor: CALCIUM ION, PHOSPHATE ION, PO ASO, ...
Authors:Cho, Y.-J, Iwamoto, N.
Deposit date:2023-05-18
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Crystal structure of RNase H/RNA/PO-ASO complex at an atomic level
To Be Published
8SWB
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BU of 8swb by Molmil
RNase H complex with streopure ASO and RNA
Descriptor: DI(HYDROXYETHYL)ETHER, DNA (5'-R(*(OMC)P*(N7X)P*(T39)P*(C5L)P*(A2M))-D(P*(SC)P*(PST)P*(SC)P*AP*(SC)P*(SC)P*(RC)P*(AS)P*(SC)P*(PST))-R(P*(6OO)P*(RFJ)P*(6OO)P*(6OO)P*(6NW))-3'), GLYCEROL, ...
Authors:Cho, Y.-J, Iwamoto, N.
Deposit date:2023-05-18
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of RNase H/RNA/PS-ASO complex at an atomic level
To Be Published
8SWA
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BU of 8swa by Molmil
Crystal structure of the human S-adenosylmethionine synthetase 1 in complex with SAM and PPNP
Descriptor: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Bruemmer, K.J, Pham, V.N, Toh, J.D.W.
Deposit date:2023-05-18
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Formaldehyde regulates S -adenosylmethionine biosynthesis and one-carbon metabolism.
Science, 382, 2023
8SW9
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BU of 8sw9 by Molmil
Plasmodium falciparum M17 (A460S) mutant
Descriptor: CARBONATE ION, Leucine aminopeptidase, PENTAETHYLENE GLYCOL, ...
Authors:McGowan, S, Suraweera, C, Drinkwater, N.
Deposit date:2023-05-17
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Characterisation of a novel antimalarial agent targeting haemaglobin digestion that shows cross-species reactivity and excellent in vivo properties.
Mbio, 2024
8SW8
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BU of 8sw8 by Molmil
Crystal Structure of HaloTag7 bound to JF669-HaloTag ligand
Descriptor: 1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium, CHLORIDE ION, Haloalkane dehalogenase
Authors:Farrants, H, Schreiter, E.R.
Deposit date:2023-05-17
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A modular chemigenetic calcium indicator for multiplexed in vivo functional imaging
To Be Published
8SW7
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BU of 8sw7 by Molmil
BG505 Boost2 SOSIP.664 in complex with NHP polyclonal antibody FP1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 Boost 2 gp120, BG505 Boost 2 gp41, ...
Authors:Pratap, P.P, Antansijevic, A, Ozorowski, G, Ward, A.B.
Deposit date:2023-05-17
Release date:2023-07-26
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Focusing antibody responses to the fusion peptide in rhesus macaques.
Biorxiv, 2023
8SW6
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BU of 8sw6 by Molmil
Protein Phosphatase 1 in complex with PP1-specific Phosphatase targeting peptide (PhosTAP) version 3
Descriptor: CHLORIDE ION, MANGANESE (II) ION, PP1-specific Phosphatase-Targeting Peptide version 3, ...
Authors:Choy, M.S, Peti, W, Page, R.
Deposit date:2023-05-17
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A Protein Phosphatase 1 specific phosphatase targeting peptide (PhosTAP) to identify the PP1 phosphatome
To Be Published
8SW5
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BU of 8sw5 by Molmil
Protein Phosphatase 1 in complex with PP1-specific Phosphatase targeting peptide (PhosTAP) version 1
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, PP1-specific Phosphatase-Targeting Peptide version 1, ...
Authors:Choy, M.S, Peti, W, Page, R.
Deposit date:2023-05-17
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:A Protein Phosphatase 1 specific phosphatase targeting peptide (PhosTAP) to identify the PP1 phosphatome
To Be Published
8SW4
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BU of 8sw4 by Molmil
BG505 GT1.1 SOSIP in complex with NHP Fabs 21N13, 21M20 and RM20A3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 21M20 heavy chain variable region, ...
Authors:Ozorowski, G, Torres, J.L, Zhang, S, Ward, A.B.
Deposit date:2023-05-17
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Neutralizing antibodies induced in non-human primates by germline targeting Env trimer
To Be Published

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PDB entries from 2024-07-17

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